4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one

C17H22N4O2 — CID 168655419

IUPAC4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C2CCCC2OCc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c18-20-19-10-14-9-17(22)21(11-14)15-7-4-8-16(15)23-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2
InChIKeyKDFYPSXQLSBLOQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.28
Rot. Bonds6

About 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one (PubChem CID 168655419) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one
PubChem CID168655419
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C2CCCC2OCc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c18-20-19-10-14-9-17(22)21(11-14)15-7-4-8-16(15)23-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2
InChIKeyKDFYPSXQLSBLOQ-UHFFFAOYSA-N
XLogP3.28
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-(2,3-dimethylcyclohexyl)pyrrolidin-2-one
CID 168655381
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-[2-(phenoxymethyl)phenyl]pyrrolidin-2-one
CID 168658165
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one (CID 168655419) is 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(C2CCCC2OCc2ccccc2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one?
The InChIKey is KDFYPSXQLSBLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-20-19-10-14-9-17(22)21(11-14)15-7-4-8-16(15)23-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2.
What are the key properties of 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-phenylmethoxycyclopentyl)pyrrolidin-2-one is sourced from PubChem (CID 168655419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).